NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 K 4.2443 8.1727 122.0584 56.3300 34.1068 173.9448 2 V 4.5970 8.2700 127.4720 61.0405 32.1225 174.5869 3 F 4.4212 9.5660 128.2089 57.2646 40.2516 175.4551 4 G 3.8957 9.0255 108.8646 45.4904 0.0000 174.6741 5 R 3.4595 8.8175 120.7896 59.8456 30.0418 179.7178 6 C 4.3658 8.0803 115.4323 59.6529 35.9354 175.5872 7 E 3.8906 8.0819 120.6800 59.2272 29.2377 178.5295 8 L 3.5910 8.1285 120.2870 57.8490 41.9974 178.4793 9 A 3.9161 7.9223 120.5483 55.3298 18.2146 179.5453 10 A 3.8911 8.0000 118.8054 55.2387 18.5133 179.7613 11 A 3.9495 7.9495 119.2712 55.5052 18.4390 179.8420 12 M 3.8185 8.2139 117.5731 58.2135 32.0056 178.8330 13 K 3.8562 8.2375 120.0926 59.5990 32.1708 178.8056 14 R 3.8987 7.9605 117.7990 59.3629 29.9612 177.1439 15 H 4.6111 7.7155 113.7045 55.2976 28.7317 175.9279 16 G 3.8918 7.8134 108.4258 45.9889 0.0000 175.2005 17 L 3.6433 7.6817 121.4560 56.2301 41.8280 176.6064 18 D 4.5825 7.9589 118.4239 55.4334 41.4148 175.1536 19 N 4.3900 9.3459 122.8191 54.0784 37.0118 173.2280 20 Y 4.3043 8.2778 121.0805 58.7991 39.0159 176.1904 21 R 3.6700 9.1217 125.6776 57.2820 27.7834 177.2567 22 G 3.7018 8.2892 104.2574 45.6360 0.0000 173.7047 23 Y 4.4193 8.0393 118.9123 55.8175 38.6789 175.8427 24 S 4.6618 8.5438 119.8677 57.7854 64.1175 174.8479 25 L 4.3216 8.8461 122.7488 58.6658 41.5684 179.5436 26 G 3.9056 8.3373 105.0087 47.9722 0.0000 175.1207 27 N 4.5011 8.2725 118.4677 56.1005 38.5972 177.5563 28 W 3.8836 7.8891 119.7476 59.6219 29.1641 178.6911 29 V 3.5970 7.9512 118.3174 66.0325 30.9928 177.2748 30 C 2.5863 8.1177 118.1342 58.9482 44.5396 175.3725 31 A 3.8958 8.0350 122.2657 55.1000 17.9082 179.4597 32 A 3.9804 7.8401 119.2305 55.0190 18.4403 179.4586 33 K 2.4800 7.6085 118.1287 59.5029 31.8203 178.8994 34 F 4.4910 7.1011 115.6647 59.6302 38.9633 177.5139 35 E 4.3232 8.1373 118.4116 58.3631 29.7545 177.4773 36 S 4.5397 7.8598 109.6214 56.5027 64.4865 173.4940 37 N 3.7700 8.4691 118.4019 54.8774 37.4799 173.9705 38 F 4.1356 7.9365 110.7685 57.9470 36.6310 173.7523 39 N 5.3481 7.8713 120.3584 51.9239 39.7255 175.9752 40 T 4.0018 8.9167 117.0925 64.4629 69.0789 175.6801 41 Q 4.3390 8.3656 119.0334 55.6005 29.1341 175.5236 42 A 4.3672 7.7891 122.5792 52.3171 19.3561 177.2004 43 T 4.9740 8.2950 110.9307 60.2222 72.5028 173.1902 44 N 4.9121 8.5513 120.0707 52.0833 43.2479 173.6722 45 R 4.6935 8.6264 124.0859 55.6116 31.7492 175.0008 46 N 5.0984 9.0510 122.3599 51.4054 41.3632 176.0703 47 T 3.8368 8.6548 110.9914 65.0379 68.7339 175.0150 48 D 4.4562 7.9901 117.9310 53.6120 39.3630 176.9972 49 G 3.9167 8.2016 109.4238 45.3848 0.0000 173.9755 50 S 4.6375 8.1808 114.9963 58.2270 65.2486 173.1600 51 T 5.0209 9.0305 115.6853 62.0120 72.9165 172.9962 52 D 5.4735 9.1152 124.7398 53.2601 43.3630 175.1832 53 Y 4.9248 8.8623 119.6681 57.4929 42.2556 177.0850 54 G 4.1195 9.0212 111.5045 45.3209 0.0000 173.3757 55 I 3.8193 8.4007 116.8374 62.8648 37.8448 177.1602 56 L 4.5451 7.9150 116.5766 53.5200 42.4019 176.3721 57 Q 3.5180 8.0137 116.5426 57.0690 26.8247 174.6549 58 I 4.0940 7.9566 118.9927 61.2199 38.9894 177.0262 59 N 5.3621 9.0591 126.0330 53.6005 39.7188 175.7294 60 S 4.5316 9.1253 120.4333 60.8232 63.5217 175.4584 61 R 3.7364 8.8336 122.2152 58.3673 30.4477 178.2415 62 W 4.1797 8.1521 117.0260 56.7188 31.7160 177.1375 63 W 4.9216 8.2238 117.6104 57.6082 29.6382 173.5145 64 C 5.5194 7.9210 110.1014 53.6399 43.8110 172.2700 65 N 4.8524 8.7862 119.2316 52.0880 39.4457 174.6682 66 D 4.6873 8.6066 123.5359 52.3958 40.2029 176.7374 67 G 3.9496 8.4540 107.0156 46.3968 0.0000 174.6858 68 R 4.6207 8.4806 112.5198 55.9510 30.7735 174.4801 69 T 4.5207 7.7399 114.7876 61.2917 69.5365 172.6914 70 P 4.1222 0.0000 0.0000 63.6422 31.7881 176.3522 71 A 3.4828 8.5806 125.1674 52.9034 16.0862 177.3633 72 S 4.2620 7.1797 109.8535 60.0476 62.9600 173.9432 73 R 4.2431 8.1386 123.2746 55.1070 32.4128 175.6726 74 N 4.1856 8.0551 115.9683 54.3907 37.2263 175.3134 75 L 4.0629 8.3828 118.0785 57.6832 42.1848 178.2383 76 C 4.6121 8.5775 113.9357 56.3915 41.1262 172.9430 77 N 4.1981 8.1116 117.1678 53.5099 36.2534 173.7822 78 I 4.6479 7.9804 110.4399 58.4959 41.5776 173.3839 79 P 4.7662 0.0000 0.0000 62.6022 32.2109 178.1146 80 C 4.0217 8.7323 119.0435 60.0159 35.0470 176.7129 81 S 3.9037 7.8774 114.9439 60.9878 62.4564 176.1719 82 A 4.0631 7.9781 124.6938 54.7315 18.1641 178.7117 83 L 4.3860 8.0005 116.0354 55.8770 41.5973 177.9718 84 L 5.5363 7.2602 117.4031 53.6699 42.1251 176.6729 85 S 4.4075 7.4274 112.8187 57.8742 62.8515 174.4353 86 S 4.2757 8.5084 118.9028 60.5983 63.2128 173.8769 87 D 4.6217 7.8467 121.4178 53.4537 41.0295 176.2767 88 I 4.0698 8.3362 119.9769 61.5768 37.8568 177.2669 89 T 3.6522 8.3189 119.4133 67.1635 68.3599 175.8941 90 A 3.9430 7.8797 121.6823 55.3018 18.4108 179.6519 91 S 4.0723 7.9487 113.1948 61.6553 62.9192 177.0173 92 V 3.2690 7.8271 121.0257 66.0020 30.7885 177.8615 93 N 4.1848 8.1906 116.4185 56.3365 38.3238 176.6810 94 C 4.2762 8.2617 119.7012 59.5427 42.3343 175.3133 95 A 4.0655 8.1880 122.6901 55.2714 17.6669 179.7108 96 K 3.6237 7.6876 116.0842 59.4187 31.8680 179.4345 97 K 4.2052 7.5851 117.6162 59.3415 31.9975 179.4570 98 I 2.8956 7.4015 120.2714 64.1263 36.8423 178.9799 99 V 3.9530 8.3568 119.8578 64.4125 31.2230 177.7136 100 S 4.5284 7.9184 114.3828 59.6308 62.8284 175.2343 101 D 4.6243 7.9257 120.7759 55.3738 40.9315 175.6933 102 G 3.9327 7.1451 108.0298 46.3748 0.0000 174.4140 103 N 4.5868 8.4220 116.4738 52.5242 40.2587 175.6758 104 G 4.0738 7.8041 105.9568 46.5870 0.0000 175.4297 105 M 4.0742 7.7468 120.2585 56.4415 31.8316 177.8681 106 N 4.7371 7.7581 116.4028 55.5038 38.8266 176.1909 107 A 3.8347 7.4465 119.4307 53.7476 18.6810 177.7545 108 W 4.6420 8.2717 117.0601 54.9783 30.1272 177.0674 109 V 3.7147 8.5447 125.5979 65.0396 30.6821 178.0909 110 A 3.9861 8.2668 121.3310 54.3847 18.2002 179.4769 111 W 3.9491 8.1896 126.5502 60.6127 30.6941 178.0101 112 R 3.5576 8.1455 117.2980 59.3950 29.6559 177.7277 113 N 4.5268 8.2542 114.4720 54.4690 38.9101 175.9353 114 R 4.4150 7.9270 115.8232 55.3722 32.5893 174.9393 115 C 4.7333 7.6439 113.9621 57.9003 42.5135 174.1773 116 K 3.1810 6.9002 120.0850 57.8930 31.6193 176.4763 117 G 3.8352 8.8763 113.5577 45.9375 0.0000 172.4837 118 T 4.5649 7.5395 109.0230 59.4022 71.4846 175.5739 119 D 4.9334 8.0830 122.6367 52.8362 38.7379 176.5530 120 V 4.1899 7.9999 117.0836 63.5418 31.8920 177.4011 121 Q 4.1497 8.2940 117.5893 58.7388 28.6094 178.2184 122 A 3.9353 8.1479 121.9490 54.8283 18.0822 179.5041 123 W 4.3400 8.1404 116.6133 58.5398 29.4067 176.9108 124 I 4.4609 7.6222 110.6141 59.9824 37.8787 175.3782 125 R 4.0263 7.4784 122.1103 58.1715 30.1180 176.8273 126 G 3.9805 8.9523 112.8374 45.5870 0.0000 173.9007 127 C 4.5095 7.7291 117.0661 55.8549 41.2440 173.8578 128 R 4.2941 8.3598 123.8158 55.3900 29.0074 176.2748 129 L 4.3596 8.2687 124.3167 54.7732 42.1630 176.8059 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ *1 K 8.17 4.24 0.00 1.86 1.75 0.00 1.32 0.00 0.00 0.96 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.45 7.81 2 V 8.27 4.60 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.98 0.00 0.00 3 F 9.57 4.42 0.00 2.83 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 G 9.03 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 R 8.82 3.46 0.00 2.06 2.01 0.00 3.61 0.00 0.00 3.67 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.02 0.00 6 C 8.08 4.37 0.00 3.01 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.08 3.89 0.00 2.05 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.42 0.00 8 L 8.13 3.59 0.00 1.37 1.35 0.06 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.92 3.92 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.00 3.89 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 A 7.95 3.95 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 M 8.21 3.82 0.00 1.84 2.18 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.27 0.00 13 K 8.24 3.86 0.00 1.90 1.93 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.45 7.81 14 R 7.96 3.90 0.00 1.86 2.07 0.00 3.24 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.59 0.00 15 H 7.72 4.61 0.00 3.11 3.15 0.00 5.95 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.81 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.68 3.64 0.00 1.43 0.68 0.01 -0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 18 D 7.96 4.58 0.00 2.65 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 N 9.35 4.39 0.00 3.13 2.95 0.00 0.00 6.20 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 8.28 4.30 0.00 3.23 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 R 9.12 3.67 0.00 2.29 2.10 0.00 3.40 0.00 0.00 2.97 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.65 0.00 22 G 8.29 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 Y 8.04 4.42 0.00 3.11 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.54 4.66 0.00 4.10 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.85 4.32 0.00 2.11 1.84 0.95 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.34 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.27 4.50 0.00 2.75 2.59 0.00 0.00 7.00 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 W 7.89 3.88 0.00 3.45 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 V 7.95 3.60 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 1.02 0.00 0.00 30 C 8.12 2.59 0.00 2.54 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 A 8.04 3.90 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.84 3.98 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.61 2.48 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.99 0.00 0.00 3.00 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.30 0.21 7.81 34 F 7.10 4.49 0.00 3.04 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.14 4.32 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.55 0.00 36 S 7.86 4.54 0.00 4.13 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 N 8.47 3.77 0.00 2.78 2.88 0.00 0.00 7.17 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 F 7.94 4.14 0.00 3.37 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 N 7.87 5.35 0.00 2.83 2.85 0.00 0.00 6.98 8.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.92 4.00 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 41 Q 8.37 4.34 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.86 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 42 A 7.79 4.37 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.30 4.97 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 44 N 8.55 4.91 0.00 2.75 2.67 0.00 0.00 6.67 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 8.63 4.69 0.00 1.78 1.79 0.00 3.19 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.83 0.00 46 N 9.05 5.10 0.00 2.86 2.70 0.00 0.00 6.78 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.65 3.84 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 48 D 7.99 4.46 0.00 2.80 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.20 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 S 8.18 4.64 0.00 3.96 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 9.03 5.02 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 52 D 9.12 5.47 0.00 2.66 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 Y 8.86 4.92 0.00 2.99 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 9.02 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.40 3.82 1.88 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.65 0.85 0.00 0.00 56 L 7.91 4.55 0.00 1.75 1.86 0.78 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 8.01 3.52 0.00 2.42 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.39 6.83 0.00 0.00 0.00 0.00 0.00 2.40 2.75 0.00 58 I 7.96 4.09 2.03 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.79 1.05 0.00 0.00 59 N 9.06 5.36 0.00 3.03 3.02 0.00 0.00 6.98 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 S 9.13 4.53 0.00 4.02 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 R 8.83 3.74 0.00 1.79 1.88 0.00 2.94 0.00 0.00 2.91 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.02 0.00 62 W 8.15 4.18 0.00 2.35 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 W 8.22 4.92 0.00 3.65 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 C 7.92 5.52 0.00 3.18 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 N 8.79 4.85 0.00 2.78 2.67 0.00 0.00 7.14 8.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 D 8.61 4.69 0.00 2.80 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.45 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 R 8.48 4.62 0.00 1.89 1.95 0.00 3.07 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 69 T 7.74 4.52 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 70 P 0.00 4.12 0.00 2.10 1.93 0.00 3.69 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 71 A 8.58 3.48 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 7.18 4.26 0.00 3.73 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 R 8.14 4.24 0.00 1.64 1.86 0.00 3.47 0.00 0.00 3.53 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.18 0.00 74 N 8.06 4.19 0.00 2.86 2.74 0.00 0.00 7.24 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 8.38 4.06 0.00 1.48 1.80 0.40 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 76 C 8.58 4.61 0.00 3.31 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 N 8.11 4.20 0.00 2.86 2.85 0.00 0.00 6.71 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 I 7.98 4.65 1.86 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.77 0.92 0.00 0.00 79 P 0.00 4.77 0.00 2.18 2.18 0.00 3.69 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.96 0.00 80 C 8.73 4.02 0.00 2.04 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 7.88 3.90 0.00 4.04 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 A 7.98 4.06 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 8.00 4.39 0.00 1.93 1.80 1.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.26 5.54 0.00 1.81 1.75 1.10 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 85 S 7.43 4.41 0.00 3.90 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.51 4.28 0.00 4.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 D 7.85 4.62 0.00 2.73 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 I 8.34 4.07 1.67 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.10 0.71 0.00 0.00 89 T 8.32 3.65 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 90 A 7.88 3.94 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 S 7.95 4.07 0.00 3.95 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 7.83 3.27 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.67 0.00 0.00 93 N 8.19 4.18 0.00 2.74 2.80 0.00 0.00 6.72 8.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 C 8.26 4.28 0.00 3.10 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 8.19 4.07 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 K 7.69 3.62 0.00 1.68 1.51 0.00 1.35 0.00 0.00 1.15 0.00 0.00 2.30 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.30 1.06 7.81 97 K 7.59 4.21 0.00 1.97 1.99 0.00 1.83 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.69 7.81 98 I 7.40 2.90 1.61 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.24 -0.24 0.00 0.00 99 V 8.36 3.95 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.87 0.00 0.00 100 S 7.92 4.53 0.00 4.15 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 D 7.93 4.62 0.00 2.98 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 G 7.15 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 N 8.42 4.59 0.00 2.73 2.75 0.00 0.00 7.11 8.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 G 7.80 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 M 7.75 4.07 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.00 0.00 106 N 7.76 4.74 0.00 3.03 3.01 0.00 0.00 6.90 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 A 7.45 3.83 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 W 8.27 4.64 0.00 3.57 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 V 8.54 3.71 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.96 0.00 0.00 110 A 8.27 3.99 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 W 8.19 3.95 0.00 3.33 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 R 8.15 3.56 0.00 2.06 2.12 0.00 3.37 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.92 0.00 113 N 8.25 4.53 0.00 2.72 2.76 0.00 0.00 6.86 8.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 R 7.93 4.41 0.00 1.36 1.14 0.00 2.84 0.00 0.00 2.75 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.40 0.00 115 C 7.64 4.73 0.00 2.39 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 K 6.90 3.18 0.00 0.79 1.30 0.00 1.60 0.00 0.00 1.52 0.00 0.00 3.00 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.19 0.95 7.81 117 G 8.88 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 T 7.54 4.56 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 119 D 8.08 4.93 0.00 2.83 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 V 8.00 4.19 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.08 0.00 0.00 121 Q 8.29 4.15 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.88 0.00 0.00 0.00 0.00 0.00 2.50 2.56 0.00 122 A 8.15 3.94 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 W 8.14 4.34 0.00 3.56 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 I 7.62 4.46 1.94 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.89 1.03 0.00 0.00 125 R 7.48 4.03 0.00 1.83 1.96 0.00 3.24 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 126 G 8.95 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 C 7.73 4.51 0.00 3.08 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 R 8.36 4.29 0.00 1.77 1.88 0.00 3.18 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 129 L 8.27 4.36 0.00 1.65 1.52 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.